4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole

C63H41N5S — CID 174274036

IUPAC4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cccc(C3=NC(c4ccccc4-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)NC(c4ccc5sc6ccccc6c5c4)=N3)c2)cc1
InChIInChI=1S/C63H41N5S/c1-3-18-40(19-4-1)41-20-15-21-42(38-41)61-64-62(43-36-37-58-51(39-43)45-24-10-14-35-57(45)69-58)66-63(65-61)50-27-9-13-32-54(50)68-53-31-12-8-26-49(53)60-47(29-17-34-56(60)68)46-28-16-33-55-59(46)48-25-7-11-30-52(48)67(55)44-22-5-2-6-23-44/h1-39,63H,(H,64,65,66)
InChIKeyISDTWQYJGVERTJ-UHFFFAOYSA-N
MW900.12 g/mol
LogP16.08
Rot. Bonds7

About 4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole

4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole (PubChem CID 174274036) has the molecular formula C63H41N5S and a molecular weight of 900.12 g/mol. Its IUPAC name is 4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
PubChem CID174274036
Molecular FormulaC63H41N5S
Molecular Weight900.12 g/mol
Exact Mass899.31
IUPAC Name4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cccc(C3=NC(c4ccccc4-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)NC(c4ccc5sc6ccccc6c5c4)=N3)c2)cc1
InChIInChI=1S/C63H41N5S/c1-3-18-40(19-4-1)41-20-15-21-42(38-41)61-64-62(43-36-37-58-51(39-43)45-24-10-14-35-57(45)69-58)66-63(65-61)50-27-9-13-32-54(50)68-53-31-12-8-26-49(53)60-47(29-17-34-56(60)68)46-28-16-33-55-59(46)48-25-7-11-30-52(48)67(55)44-22-5-2-6-23-44/h1-39,63H,(H,64,65,66)
InChIKeyISDTWQYJGVERTJ-UHFFFAOYSA-N
XLogP16.08
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.12
LogP ≤ 516.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole with MolForge

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Related Compounds

5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273713
9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174272126
1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole
CID 174274955
4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274174
4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 170097785
2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole
CID 142504958
4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032127
9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile
CID 174272506
14-[3-[6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170106111
9-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole
CID 166915900

Frequently Asked Questions

What is the IUPAC name of 4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
The IUPAC name of 4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole (CID 174274036) is 4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole is c1ccc(-c2cccc(C3=NC(c4ccccc4-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)NC(c4ccc5sc6ccccc6c5c4)=N3)c2)cc1.
What is the InChIKey of 4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
The InChIKey is ISDTWQYJGVERTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5S/c1-3-18-40(19-4-1)41-20-15-21-42(38-41)61-64-62(43-36-37-58-51(39-43)45-24-10-14-35-57(45)69-58)66-63(65-61)50-27-9-13-32-54(50)68-53-31-12-8-26-49(53)60-47(29-17-34-56(60)68)46-28-16-33-55-59(46)48-25-7-11-30-52(48)67(55)44-22-5-2-6-23-44/h1-39,63H,(H,64,65,66).
What are the key properties of 4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 900.12 g/mol, XLogP of 16.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 174274036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).